Geometry & MOs

Info

ID:	441724
PubChem CID:	135242013
Reduced:	N2H4C5 (4)
Stoich.:	A2B4C5 (4)
Weight, g/mol:	511.129028
ΔH_f, kcal/mol:	180.29
Dipole, Da:	6.94
IP(EA), eV:	-9.3(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[6-[[4-[2-amino-6-(2,3-dichlorophenyl)pyrimidin-4-yl]triazol-1-yl]methyl]pyridin-2-yl]-4-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)CN2C=C(N=N2)C3=NC(=NC(=C3)C4=CC=CC(=C4)C#N)N

DOS

IR

Vibrations